CID 135392861

2227205-31-2

Structural Information

Molecular Formula
C7H13NO
SMILES
COCC12CC(C1)(C2)N
InChI
InChI=1S/C7H13NO/c1-9-5-6-2-7(8,3-6)4-6/h2-5,8H2,1H3
InChIKey
OCIXCZBNIIOWOQ-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)bicyclo[1.1.1]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

127.09972 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 146.6
[M+Na]+ 150.088938 150.4
[M-H]- 126.092444 149.7
[M+NH4]+ 145.133543 154.0
[M+K]+ 166.062878 156.4
[M+H-H2O]+ 110.096980 133.7
[M+HCOO]- 172.097921 160.5
[M+CH3COO]- 186.113571 204.0
[M+Na-2H]- 148.074386 153.6
[M]+ 127.09917142 170.7
[M]- 127.10026858 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe